1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
TL;DR: 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea (CAS 50528-99-9) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Also Known As: 5-22-08-00198 (Beilstein Handbook Reference), 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea, 1-m-methoxyphenyl-3-(1-methyl-2-pyrrolidylidene)urea, Urea, (3-methoxyphenyl)(1-methyl-2-pyrrolidinylidene)-, 1-(m-Methoxyphenyl)-3-(1-methyl-2-pyrrolidinylidene)urea
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 2.3512 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 471.05908 |
Chemical Identifiers
| CAS Number | 50528-99-9 |
|---|---|
| SMILES | CN1CCCC1=NC(=O)NC2=CC(=CC=C2)OC |
Product Overview
1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea (CAS 50528-99-9), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: 1-(3-methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea.
Chemical Property Profile of 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Property Insights of 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
The XLogP value of 2.3512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea. With a topological polar surface area (TPSA) of 53.93 Ų, 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The CAS number of 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea is 50528-99-9.
What is the molecular formula of 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The molecular formula of 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea is C13H17N3O2.
What is the molecular weight of 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The molecular weight of 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea is 247.13 g/mol.
Where can I buy 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
You can request a quote for 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(m-Methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.